3N4L
BACE-1 in complex with ELN380842
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Beta-secretase 1 | polymer | 406 | 45445.1 | 3 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | D, E, F (A, B, C) | N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide | non-polymer | 482.6 | 3 | Chemie (842) | |||
| 3 | G, H, I (A, B, C) | water | water | 18.0 | 35 | Chemie (HOH) |
Sequence modifications
A, B, C: 2 - 398 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Arg 399 | - | expression tag |
| Ser 400 | - | expression tag |
| His 401 | - | expression tag |
| His 402 | - | expression tag |
| His 403 | - | expression tag |
| His 404 | - | expression tag |
| His 405 | - | expression tag |
| His 406 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 136335.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1447.7 | |
| All* | Total formula weight | 137783.1 |
